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MMsINC code: MMs00866437

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc(OC)cc1)c1ncccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-17-11-7-15(8-12-17)21(27)19-20(14-5-9-16(24)10-6-14)26(23(29)22(19)28)18-4-2-3-13-25-18/h2-13,20,28H,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.524 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -5.08494	SlogP: 4.1077	Reactive groups: 1

Topological Properties
Globularity: 0.233733	Sterimol/B1: 2.85159	Sterimol/B2: 2.94556	Sterimol/B3: 7.47263
Sterimol/B4: 8.30804	Sterimol/L: 15.4461

Surface and Volume Properties
Accessible surface: 635.897	Positive charged surface: 373.386	Negative charged surface: 262.51	Volume: 364.75
Hydrophobic surface: 517.969	Hydrophilic surface: 117.928

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00866438
CHEMDIV-ZINC01464103